7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one

C19H18ClNO3 — CID 59724282

IUPAC7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one
SMILESCOc1c(N)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12
InChIInChI=1S/C19H18ClNO3/c1-10(2)17-15(11-4-6-12(20)7-5-11)16(22)13-8-9-14(21)19(23-3)18(13)24-17/h4-10H,21H2,1-3H3
InChIKeyJBGYTACQTHPCRX-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.83
Rot. Bonds3

About 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one

7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one (PubChem CID 59724282) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one
PubChem CID59724282
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one
SMILESCOc1c(N)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12
InChIInChI=1S/C19H18ClNO3/c1-10(2)17-15(11-4-6-12(20)7-5-11)16(22)13-8-9-14(21)19(23-3)18(13)24-17/h4-10H,21H2,1-3H3
InChIKeyJBGYTACQTHPCRX-UHFFFAOYSA-N
XLogP4.83
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one?
The IUPAC name of 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one (CID 59724282) is 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one.
What is the SMILES notation for 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one?
The canonical SMILES for 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one is COc1c(N)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12.
What is the InChIKey of 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one?
The InChIKey is JBGYTACQTHPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-10(2)17-15(11-4-6-12(20)7-5-11)16(22)13-8-9-14(21)19(23-3)18(13)24-17/h4-10H,21H2,1-3H3.
What are the key properties of 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one?
7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one has a molecular weight of 343.81 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(4-chlorophenyl)-8-methoxy-2-propan-2-ylchromen-4-one is sourced from PubChem (CID 59724282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).